# generated using pymatgen data_ZrCoP3Ru4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79385932 _cell_length_b 10.49758645 _cell_length_c 12.11876639 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCoP3Ru4 _chemical_formula_sum 'Zr4 Co4 P12 Ru16' _cell_volume 482.64642824 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.25000000 0.58420106 0.70564730 1.0 Zr Zr1 1 0.25000000 0.91579894 0.20564730 1.0 Zr Zr2 1 0.75000000 0.41579894 0.29435270 1.0 Zr Zr3 1 0.75000000 0.08420106 0.79435270 1.0 Co Co4 1 0.25000000 0.46258238 0.93689970 1.0 Co Co5 1 0.25000000 0.03741762 0.43689970 1.0 Co Co6 1 0.75000000 0.53741762 0.06310030 1.0 Co Co7 1 0.75000000 0.96258238 0.56310030 1.0 P P8 1 0.25000000 0.42410604 0.11050363 1.0 P P9 1 0.25000000 0.07589396 0.61050363 1.0 P P10 1 0.75000000 0.57589396 0.88949637 1.0 P P11 1 0.75000000 0.92410604 0.38949637 1.0 P P12 1 0.25000000 0.26928882 0.86816421 1.0 P P13 1 0.25000000 0.23071118 0.36816421 1.0 P P14 1 0.75000000 0.73071118 0.13183579 1.0 P P15 1 0.75000000 0.76928882 0.63183579 1.0 P P16 1 0.25000000 0.59854524 0.39068922 1.0 P P17 1 0.25000000 0.90145476 0.89068922 1.0 P P18 1 0.75000000 0.40145476 0.60931078 1.0 P P19 1 0.75000000 0.09854524 0.10931078 1.0 Ru Ru20 1 0.25000000 0.70962625 0.98776630 1.0 Ru Ru21 1 0.25000000 0.79037375 0.48776630 1.0 Ru Ru22 1 0.75000000 0.29037375 0.01223370 1.0 Ru Ru23 1 0.75000000 0.20962625 0.51223370 1.0 Ru Ru24 1 0.25000000 0.40501278 0.48233066 1.0 Ru Ru25 1 0.25000000 0.09498722 0.98233066 1.0 Ru Ru26 1 0.75000000 0.59498722 0.51766934 1.0 Ru Ru27 1 0.75000000 0.90501278 0.01766934 1.0 Ru Ru28 1 0.25000000 0.22964273 0.17782699 1.0 Ru Ru29 1 0.25000000 0.27035727 0.67782699 1.0 Ru Ru30 1 0.75000000 0.77035727 0.82217301 1.0 Ru Ru31 1 0.75000000 0.72964273 0.32217301 1.0 Ru Ru32 1 0.25000000 0.88995504 0.70061310 1.0 Ru Ru33 1 0.25000000 0.61004496 0.20061310 1.0 Ru Ru34 1 0.75000000 0.11004496 0.29938690 1.0 Ru Ru35 1 0.75000000 0.38995504 0.79938690 1.0